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Details

Stereochemistry RACEMIC
Molecular Formula C26H28Cl2N2O.ClH
Molecular Weight 491.88
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DR-4485 hydrochloride

SMILES

Cl.ClC1=CC=C(C=C1)C2=CCN(CCCCC34CCCC5=C3C(NC4=O)=CC=C5Cl)CC2

InChI

InChIKey=QAERYGXKDZHTFR-UHFFFAOYSA-N
InChI=1S/C26H28Cl2N2O.ClH/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31;/h5-11H,1-4,12-17H2,(H,29,31);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H28Cl2N2O
Molecular Weight 455.419
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.14 null [pKi]
Substance Class Chemical
Record UNII
5BJV5NUM68
Record Status Validated (UNII)
Record Version